Geometry & MOs

Info

ID:	316802
PubChem CID:	126631794
Reduced:	NPH22C31 (1)
Stoich.:	ABC22D31 (1)
Weight, g/mol:	400.232185
ΔH_f, kcal/mol:	121.29
Dipole, Da:	1.92
IP(EA), eV:	-8.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C(=CC=C3)C4=CC5=C(C=C4)C6=CC=CC=C6P5C7=CC=CC=C7

DOS

IR

Vibrations